Title : ( Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study )
Authors: Masoud Mirzaei Shahrabi , Hossein Eshtiagh Hosseini , Zahra Bolouri bazaz , zahra rahmaty , atefeh esmaeilzadeh , azam hassanpoor , Antonio Bauza , Pablo Ballester , Miquel Barcelo-Oliver , Joel T. Mague , Behrouz Notash , Antonio Frontera ,
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Abstract
Six new MX2/8-aminoquinoline complexes (M = Mn, Cu, and Cd; X = Cl, Br, I, and SCN) have been synthesized and X-ray characterized. We have studied computationally (DFT calculations) the influence of the counterion and metal center on the geometry of the complexes and the different supramolecular assemblies observed in the solid-state architectures.
Keywords
, crystal engineering; noncovalent interactions; 8, aminoquinoline; supramolecular complexes; experimental; theoretical DFT study
@article{paperid:1045227,
author = {Mirzaei Shahrabi, Masoud and Eshtiagh Hosseini, Hossein and Bolouri Bazaz, Zahra and Rahmaty, Zahra and Esmaeilzadeh, Atefeh and Hassanpoor, Azam and Antonio Bauza and Pablo Ballester and Miquel Barcelo-Oliver and Joel T. Mague and Behrouz Notash and Antonio Frontera},
title = {Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study},
journal = {Crystal Growth and Design},
year = {2015},
volume = {15},
number = {3},
month = {April},
issn = {1528-7483},
pages = {1351--1361},
numpages = {10},
keywords = {crystal engineering; noncovalent interactions; 8-aminoquinoline; supramolecular complexes; experimental; theoretical DFT study},
}
%0 Journal Article
%T Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study
%A Mirzaei Shahrabi, Masoud
%A Eshtiagh Hosseini, Hossein
%A Bolouri Bazaz, Zahra
%A Rahmaty, Zahra
%A Esmaeilzadeh, Atefeh
%A Hassanpoor, Azam
%A Antonio Bauza
%A Pablo Ballester
%A Miquel Barcelo-Oliver
%A Joel T. Mague
%A Behrouz Notash
%A Antonio Frontera
%J Crystal Growth and Design
%@ 1528-7483
%D 2015
